Name: Name:2-(2,2-difluoroethyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one
Brand: Angene
SKU: AG01BFV3
Rating: 90 (10 reviews)

2-(2,2-difluoroethyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one

CAS No.:

1498956-59-4

Catalog Number:

AG01BFV3

Molecular Formula:

C7H10F2N4O

Molecular Weight:

204.1773

Catalog Number:

AG01BFV3

Chemical Name:

2-(2,2-difluoroethyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one

CAS Number:

1498956-59-4

Molecular Formula:

C7H10F2N4O

Molecular Weight:

204.1773

MDL Number:

MFCD21739756

IUPAC Name:

2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

InChI:

InChI=1S/C7H10F2N4O/c8-5(9)4-13-7(14)12-2-1-10-3-6(12)11-13/h5,10H,1-4H2

InChI Key:

KOYZUSPJMVTYSD-UHFFFAOYSA-N

SMILES:

FC(Cn1nc2n(c1=O)CCNC2)F

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.181g/mol

Monoisotopic Mass:

204.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2